REMARK Name = BDB059772 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.785 1.309 -0.419 0.00 0.00 +0.113 A ATOM 2 N LIG 1 -0.464 -0.023 -0.583 0.00 0.00 -0.292 N ATOM 3 C LIG 1 -1.031 -0.978 0.243 0.00 0.00 +0.258 A ATOM 4 O LIG 1 -0.786 -2.181 0.170 0.00 0.00 -0.267 OA ATOM 5 C LIG 1 -1.977 -0.493 1.277 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -2.205 0.829 1.328 0.00 0.00 +0.049 A ATOM 7 C LIG 1 -3.163 1.479 2.294 0.00 0.00 +0.066 C ATOM 8 N LIG 1 -1.610 1.727 0.484 0.00 0.00 -0.238 NA ENDROOT BRANCH 1 9 ATOM 9 C LIG 1 -0.154 2.341 -1.354 0.00 0.00 +0.074 C BRANCH 9 10 ATOM 10 C LIG 1 -0.537 3.799 -1.087 0.00 0.00 +0.007 C BRANCH 10 12 ATOM 11 C LIG 1 -0.222 5.832 0.364 0.00 0.00 +0.004 C ATOM 12 C LIG 1 0.183 4.385 0.130 0.00 0.00 -0.003 C ENDBRANCH 10 12 ENDBRANCH 9 10 ENDBRANCH 1 9 BRANCH 2 13 ATOM 13 C LIG 1 0.445 -0.510 -1.627 0.00 0.00 +0.161 C BRANCH 13 14 ATOM 14 C LIG 1 1.912 -0.377 -1.263 0.00 0.00 -0.028 A ATOM 15 C LIG 1 2.783 0.347 -2.089 0.00 0.00 +0.006 A ATOM 16 C LIG 1 4.131 0.497 -1.749 0.00 0.00 +0.009 A ATOM 17 C LIG 1 4.652 -0.094 -0.589 0.00 0.00 -0.017 A ATOM 18 C LIG 1 3.783 -0.842 0.221 0.00 0.00 +0.009 A ATOM 19 C LIG 1 2.433 -0.987 -0.114 0.00 0.00 +0.006 A BRANCH 17 20 ATOM 20 C LIG 1 6.066 0.081 -0.218 0.00 0.00 -0.007 A ATOM 21 C LIG 1 7.150 -0.354 -1.012 0.00 0.00 +0.028 A ATOM 22 C LIG 1 8.472 -0.072 -0.625 0.00 0.00 +0.012 A ATOM 23 C LIG 1 8.735 0.616 0.557 0.00 0.00 +0.001 A ATOM 24 C LIG 1 7.680 1.037 1.359 0.00 0.00 +0.001 A ATOM 25 C LIG 1 6.363 0.774 0.974 0.00 0.00 +0.009 A BRANCH 21 26 ATOM 26 C LIG 1 6.995 -1.125 -2.257 0.00 0.00 +0.183 A ATOM 27 N LIG 1 6.063 -2.079 -2.382 0.00 0.00 -0.271 N ATOM 28 H LIG 1 5.386 -2.400 -1.713 0.00 0.00 +0.174 HD ATOM 29 C LIG 1 6.224 -2.619 -3.597 0.00 0.00 +0.440 A ATOM 30 O LIG 1 5.584 -3.550 -4.061 0.00 0.00 -0.221 OA ATOM 31 O LIG 1 7.255 -1.967 -4.231 0.00 0.00 -0.295 OA ATOM 32 N LIG 1 7.748 -0.999 -3.300 0.00 0.00 -0.054 NA ENDBRANCH 21 26 ENDBRANCH 17 20 ENDBRANCH 13 14 ENDBRANCH 2 13 BRANCH 5 33 ATOM 33 C LIG 1 -2.579 -1.548 2.168 0.00 0.00 +0.141 C BRANCH 33 34 ATOM 34 C LIG 1 -3.852 -2.124 1.662 0.00 0.00 +0.232 A ATOM 35 O LIG 1 -3.929 -3.481 1.567 0.00 0.00 -0.338 OA ATOM 36 N LIG 1 -5.215 -3.773 1.112 0.00 0.00 -0.061 NA ATOM 37 C LIG 1 -5.778 -2.563 0.966 0.00 0.00 +0.177 A ATOM 38 N LIG 1 -4.963 -1.514 1.314 0.00 0.00 -0.195 NA BRANCH 37 39 ATOM 39 C LIG 1 -7.199 -2.376 0.498 0.00 0.00 +0.025 C ATOM 40 C LIG 1 -7.410 -3.049 -0.872 0.00 0.00 +0.019 C ATOM 41 C LIG 1 -7.543 -0.878 0.349 0.00 0.00 +0.019 C ATOM 42 C LIG 1 -8.174 -2.995 1.518 0.00 0.00 +0.019 C ENDBRANCH 37 39 ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 10